R8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O15 | C14 | sing | 1.43Å | 1.37Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| F16 | C9 | sing | 1.35Å | 1.42Å | |
| C13 | S12 | sing | 1.81Å | 1.80Å | |
| F19 | C10 | sing | 1.35Å | 1.36Å | |
| C9 | C10 | doub | 1.38Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.39Å | 1.34Å | Aromatic |
| S12 | C8 | sing | 1.76Å | 1.78Å | |
| C10 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| O4 | S2 | doub | 1.42Å | 1.46Å | |
| C11 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C11 | S2 | sing | 1.76Å | 1.78Å | |
| C7 | C6 | sing | 1.38Å | 1.34Å | Aromatic |
| C7 | F17 | sing | 1.35Å | 1.36Å | |
| C6 | F18 | sing | 1.35Å | 1.38Å | |
| S2 | N1 | sing | 1.66Å | 1.64Å | |
| S2 | O3 | doub | 1.42Å | 1.49Å | |
| N1 | C5 | sing | 1.46Å | 1.49Å | |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| O15 | H9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O15 | C14 | C13 | 111.3° | 109.5° |
| O15 | C14 | H6 | 109.0° | 109.5° |
| O15 | C14 | H7 | 109.0° | 109.5° |
| C14 | O15 | H9 | 109.5° | 114.0° |
| C14 | C13 | S12 | 102.0° | 109.5° |
| C14 | C13 | H4 | 111.3° | 109.5° |
| C14 | C13 | H5 | 111.3° | 109.5° |
| C13 | C14 | H6 | 109.0° | 109.5° |
| C13 | C14 | H7 | 109.0° | 109.5° |
| F16 | C9 | C10 | 114.1° | 120.0° |
| F16 | C9 | C8 | 119.4° | 120.0° |
| C13 | S12 | C8 | 103.3° | 103.0° |
| S12 | C13 | H4 | 111.3° | 109.4° |
| S12 | C13 | H5 | 111.3° | 109.5° |
| F19 | C10 | C9 | 117.7° | 120.0° |
| F19 | C10 | C11 | 121.9° | 120.0° |
| C10 | C9 | C8 | 126.4° | 120.0° |
| C9 | C10 | C11 | 120.3° | 120.1° |
| C9 | C8 | S12 | 125.5° | 120.1° |
| C9 | C8 | C7 | 113.8° | 119.8° |
| S12 | C8 | C7 | 120.5° | 120.1° |
| C10 | C11 | C6 | 111.8° | 120.1° |
| C10 | C11 | S2 | 125.7° | 119.9° |
| C8 | C7 | C6 | 120.3° | 120.0° |
| C8 | C7 | F17 | 118.7° | 120.0° |
| O4 | S2 | C11 | 105.2° | 106.4° |
| O4 | S2 | N1 | 109.2° | 106.4° |
| O4 | S2 | O3 | 113.5° | 123.1° |
| C6 | C11 | S2 | 122.2° | 119.9° |
| C11 | C6 | C7 | 126.3° | 120.1° |
| C11 | C6 | F18 | 117.0° | 119.9° |
| C11 | S2 | N1 | 107.0° | 107.2° |
| C11 | S2 | O3 | 106.2° | 106.4° |
| C6 | C7 | F17 | 120.2° | 120.0° |
| C7 | C6 | F18 | 116.1° | 120.0° |
| N1 | S2 | O3 | 114.9° | 106.4° |
| S2 | N1 | C5 | 115.6° | 120.0° |
| S2 | N1 | H8 | 107.9° | 120.0° |
| N1 | C5 | H1 | 109.5° | 109.4° |
| N1 | C5 | H2 | 109.5° | 109.5° |
| N1 | C5 | H3 | 109.5° | 109.4° |
| C5 | N1 | H8 | 107.9° | 120.0° |
| H1 | C5 | H2 | 109.5° | 109.5° |
| H1 | C5 | H3 | 109.4° | 109.5° |
| H2 | C5 | H3 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O15 | C14 | C13 | H6 | 120.3° | 120.0° |
| O15 | C14 | C13 | H7 | 120.3° | 120.0° |
| O15 | C14 | C13 | S12 | 86.9° | 180.0° |
| O15 | C14 | C13 | H4 | 31.9° | 60.0° |
| O15 | C14 | C13 | H5 | 154.3° | 60.0° |
| O15 | C14 | H6 | H7 | 119.2° | 120.0° |
| C14 | C13 | S12 | H4 | 118.8° | 120.0° |
| C14 | C13 | S12 | H5 | 118.8° | 120.1° |
| C14 | C13 | S12 | C8 | 167.6° | 180.0° |
| C14 | C13 | H4 | H5 | 123.4° | 120.0° |
| C13 | C14 | H6 | H7 | 119.2° | 120.0° |
| C13 | C14 | O15 | H9 | 180.0° | 180.0° |
| F16 | C9 | C10 | F19 | 3.4° | 0.3° |
| F16 | C9 | C10 | C8 | 177.7° | 179.7° |
| F16 | C9 | C8 | S12 | 5.6° | 0.2° |
| F16 | C9 | C10 | C11 | 179.7° | 180.0° |
| F16 | C9 | C8 | C7 | 178.1° | 179.8° |
| C13 | S12 | C8 | C9 | 52.0° | 90.0° |
| C13 | S12 | C8 | C7 | 131.9° | 90.0° |
| S12 | C13 | H4 | H5 | 123.5° | 120.0° |
| S12 | C13 | C14 | H6 | 152.8° | 59.9° |
| S12 | C13 | C14 | H7 | 33.4° | 60.0° |
| F19 | C10 | C9 | C11 | 177.0° | 179.7° |
| F19 | C10 | C9 | C8 | 178.9° | 180.0° |
| F19 | C10 | C11 | C6 | 173.8° | 179.7° |
| F19 | C10 | C11 | S2 | 0.0° | 0.3° |
| C10 | C9 | C8 | S12 | 176.9° | 180.0° |
| C10 | C9 | C8 | C7 | 0.6° | 0.0° |
| C9 | C10 | C11 | C6 | 3.1° | 0.6° |
| C9 | C10 | C11 | S2 | 176.8° | 180.0° |
| C9 | C8 | S12 | C7 | 176.1° | 180.0° |
| C8 | C9 | C10 | C11 | 2.0° | 0.3° |
| C9 | C8 | C7 | C6 | 6.2° | 0.0° |
| C9 | C8 | C7 | F17 | 176.1° | 180.0° |
| S12 | C8 | C7 | C6 | 170.3° | 180.0° |
| S12 | C8 | C7 | F17 | 0.4° | 0.0° |
| C8 | S12 | C13 | H4 | 73.7° | 60.0° |
| C8 | S12 | C13 | H5 | 48.8° | 59.9° |
| C10 | C11 | S2 | O4 | 8.3° | 156.4° |
| C10 | C11 | C6 | S2 | 174.0° | 179.4° |
| C10 | C11 | C6 | C7 | 10.5° | 0.6° |
| C10 | C11 | C6 | F18 | 178.8° | 179.7° |
| C10 | C11 | S2 | N1 | 107.8° | 90.0° |
| C10 | C11 | S2 | O3 | 128.9° | 23.5° |
| C8 | C7 | C6 | C11 | 12.7° | 0.3° |
| C8 | C7 | C6 | F17 | 169.7° | 179.9° |
| C8 | C7 | C6 | F18 | 176.5° | 180.0° |
| O4 | S2 | C11 | C6 | 178.6° | 23.0° |
| O4 | S2 | C11 | N1 | 116.1° | 113.6° |
| O4 | S2 | C11 | O3 | 120.6° | 132.9° |
| O4 | S2 | N1 | O3 | 128.9° | 132.9° |
| O4 | S2 | N1 | C5 | 152.9° | 48.5° |
| O4 | S2 | N1 | H8 | 86.2° | 131.5° |
| C11 | C6 | C7 | F18 | 170.8° | 179.7° |
| C11 | C6 | C7 | F17 | 177.6° | 179.7° |
| C6 | C11 | S2 | N1 | 65.3° | 90.6° |
| C6 | C11 | S2 | O3 | 57.9° | 155.9° |
| S2 | C11 | C6 | C7 | 175.5° | 180.0° |
| S2 | C11 | C6 | F18 | 4.8° | 0.3° |
| C11 | S2 | N1 | O3 | 117.6° | 113.5° |
| C11 | S2 | N1 | C5 | 93.7° | 65.0° |
| C11 | S2 | N1 | H8 | 27.2° | 115.0° |
| F17 | C7 | C6 | F18 | 6.8° | 0.1° |
| S2 | N1 | C5 | H8 | 120.9° | 180.0° |
| S2 | N1 | C5 | H1 | 180.0° | 60.0° |
| S2 | N1 | C5 | H2 | 60.0° | 60.0° |
| S2 | N1 | C5 | H3 | 60.0° | 180.0° |
| O3 | S2 | N1 | C5 | 23.9° | 178.6° |
| O3 | S2 | N1 | H8 | 144.8° | 1.4° |
| N1 | C5 | H1 | H2 | 120.0° | 120.0° |
| N1 | C5 | H1 | H3 | 120.0° | 119.9° |
| N1 | C5 | H2 | H3 | 120.0° | 120.0° |
| H1 | C5 | H2 | H3 | 119.9° | 120.0° |
| H1 | C5 | N1 | H8 | 59.1° | 120.0° |
| H2 | C5 | N1 | H8 | 179.1° | 120.0° |
| H3 | C5 | N1 | H8 | 60.9° | 0.0° |
| H4 | C13 | C14 | H6 | 88.4° | 60.0° |
| H4 | C13 | C14 | H7 | 152.2° | NaN° |
| H5 | C13 | C14 | H6 | 34.0° | 180.0° |
| H5 | C13 | C14 | H7 | 85.4° | 60.0° |
| H6 | C14 | O15 | H9 | 59.7° | 60.0° |
| H7 | C14 | O15 | H9 | 59.7° | 60.0° |
